(Q27138653)

CHEBI:70311 (English)

(2R,6R)-2-methyl-3-methylidene-6-[(4S,5R,10S,13R,14R,17R)-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₄

1 reference

CHEBI:70311 (English)

7 October 2016

canonical SMILES

CC1C2CCC3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C

1 reference

CHEBI:70311 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)[C@H](C)C(=O)O)C

1 reference

CHEBI:70311 (English)

Taiwanofungus camphoratus

7 October 2016

found in taxon

6 references

Anti-inflammatory benzenoids from Antrodia camphorata.

Three New Triterpenoids from Antrodia cinnamomea

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

Anti-inflammatory benzenoids from Antrodia camphorata.

Methyl antcinate A from Antrodia camphorata induces apoptosis in human liver cancer cells through oxidant-mediated cofilin- and Bax-triggered mitochondrial pathway

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

Antrodia cinnamomea

1 reference

Three New Triterpenoids from Antrodia cinnamomea

Identifiers

InChI

InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18+,19+,21-,22+,23+,28+,29-/m1/s1

1 reference

CHEBI:70311 (English)

WTSUWKBKPMVEBO-QNMMDLTMSA-N

7 October 2016

InChIKey

2 references

CHEBI:70311 (English)

7 October 2016

ChEBI release 2020-09-01

0 references

1 reference

(4alpha,5alpha,25S)-4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid (English)

7 October 2016

2 references

CHEBI:70311 (English)

matched by identifier from

7 October 2016

InChIKey

WTSUWKBKPMVEBO-QNMMDLTMSA-N

ChEBI ID

70311

mapping relation type

2 references

antcin A (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18+,19+,21-,22+,23+,28+,29-/m1/s1

1 reference