Rugulovasine B
PubChem CID
119088
Structure
Molecular Formula
Synonyms
- Rugulovasine B
- 0E5879R1WV
- 26909-34-2
- RUGULOVASINE B [MI]
- UNII-0E5879R1WV
Molecular Weight
268.31 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-25
Description
Rugulovasine B is a member of indoles.
Rugulovasine B has been reported in Talaromyces islandicus, Talaromyces rugulosus, and other organisms with data available.
Chemical Structure Depiction
(4R,5R)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16-/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QTWQJTORJVFWAQ-CZUORRHYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C[C@@]2([C@@H](CC3=CNC4=CC=CC2=C34)NC)OC1=O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H16N2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
26909-34-2
- rugulovasine B
- rugulovasine B hydrochloride, (trans-(+-))-isomer
- Rugulovasine B
- 0E5879R1WV
- 26909-34-2
- RUGULOVASINE B [MI]
- UNII-0E5879R1WV
- Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one, 3,4-dihydro-4'-methyl-4-(methylamino)-, (2'R,4R)-rel-
- (4R,5R)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one
- SPIRO(BENZ(CD)INDOLE-5(1H),2'(5'H)-FURAN)-5'-ONE, 3,4-DIHYDRO-4'-METHYL-4-(METHYLAMINO)-, TRANS-
- Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one, 3,4-dihydro-4'-methyl-4-(methylamino)-, trans-(+-)-
- SPIRO(BENZ(CD)INDOLE-5(1H),2'(5'H)-FURAN)-5'-ONE, 3,4-DIHYDRO-4'-METHYL-4-(METHYLAMINO)-, TRANS-(+/-)-
- (4R,5R)-3'-methyl-4-(methylamino)spiro(3,4-dihydro-1H-benzo(cd)indole-5,5'-furan)-2'-one
- CHEBI:222546
- DTXSID901046325
- Q27236662
- (4R,5R)-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-uran]-2'-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
268.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
268.121177757 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
268.121177757 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
54.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
475
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/Rugulovasine Bhttps://www.wikidata.org/wiki/Q27236662LOTUS Treehttps://lotus.naturalproducts.net/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxRugulovasine Bhttps://comptox.epa.gov/dashboard/DTXSID901046325CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Wikidatarugulovasine bhttps://www.wikidata.org/wiki/Q27236662
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlrugulovasine Bhttps://www.ncbi.nlm.nih.gov/mesh/67027115
- The Natural Products AtlasLICENSEThe Natural Products Atlas is licensed under a Creative Commons Attribution 4.0 International License.https://www.npatlas.org/termsThe Natural Products Atlas Classificationhttps://www.npatlas.org/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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