Camphoratin I (Q27138650)

CHEMBL1641972 (English)

(5R,9S,10S,13R,14S,17R)-17-[(2R,5S,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

(5R,9S,10S,13R,14S,17R)-17-[(E,2R,5S,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

(5S,9R,10S,13R,14R,17R)-17-[(2R,5S,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₂

1 reference

CHEMBL1641972 (English)

7 October 2016

canonical SMILES

CC(CO)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C

1 reference

CHEMBL1641972 (English)

7 October 2016

isomeric SMILES

C[C@H](CO)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C

1 reference

CHEMBL1641972 (English)

Taiwanofungus camphoratus

7 October 2016

found in taxon

2 references

stated in

Camphoratins A-J, potent cytotoxic and anti-inflammatory triterpenoids from the fruiting body of Taiwanofungus camphoratus

stated in

Biologically active constituents from the fruiting body of Taiwanofungus camphoratus

Identifiers

InChI

InChI=1S/C28H44O2/c1-18(20(3)17-29)6-7-19(2)24-10-11-25-23-9-8-21-16-22(30)12-14-27(21,4)26(23)13-15-28(24,25)5/h6-7,9,18-21,24-26,29H,8,10-17H2,1-5H3/b7-6+/t18-,19+,20+,21-,24+,25-,26-,27-,28+/m0/s1

1 reference

CHEMBL1641972 (English)

HCQKGAYOZHKURE-TVBBQBQJSA-N

7 October 2016

InChIKey

2 references

CHEMBL1641972 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha,22E,25S)-26-Hydroxyergosta-7,22-dien-3-one (English)

7 October 2016

1 reference

CHEMBL1641972 (English)

7 October 2016

ChEBI ID

70308

mapping relation type

2 references

Camphoratin I (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H44O2/c1-18(20(3)17-29)6-7-19(2)24-10-11-25-23-9-8-21-16-22(30)12-14-27(21,4)26(23)13-15-28(24,25)5/h6-7,9,18-21,24-26,29H,8,10-17H2,1-5H3/b7-6+/t18-,19+,20+,21-,24+,25-,26-,27-,28+/m0/s1

1 reference