antcin C (Q27138654)

CHEBI:70312 (English)

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

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₅

1 reference

CHEBI:70312 (English)

7 October 2016

canonical SMILES

CC1C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C)O

1 reference

CHEBI:70312 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H]2C[C@@H](C3=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)O

1 reference

CHEBI:70312 (English)

Taiwanofungus camphoratus

7 October 2016

found in taxon

7 references

Antcamphins A-L, ergostanoids from Antrodia camphorata

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

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

Identification of Bioactive Components inAntrodia cinnamomeaby MS/MSviaEl Ionization

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

Three New Triterpenoids from Antrodia cinnamomea

Antcamphorols A-K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata

Antrodia cinnamomea

2 references

Identification of Bioactive Components inAntrodia cinnamomeaby MS/MSviaEl Ionization

Three New Triterpenoids from Antrodia cinnamomea

Identifiers

InChI

InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19-,20+,21+,23+,28+,29-/m1/s1

1 reference

CHEBI:70312 (English)

TWISSXUWVGIUBP-IRXLFGEOSA-N

7 October 2016

InChIKey

2 references

CHEBI:70312 (English)

7 October 2016

ChEBI release 2020-09-01

0 references

1 reference

(4alpha,5alpha,7beta,25S)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid (English)

7 October 2016

2 references

CHEBI:70312 (English)

matched by identifier from

7 October 2016

InChIKey

TWISSXUWVGIUBP-IRXLFGEOSA-N

ChEBI ID

70312

mapping relation type

2 references

antcin C (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19-,20+,21+,23+,28+,29-/m1/s1

1 reference