(Q27135272)

(+)-Makassaric acid (English)

3-[[(1R,4aS,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methyl]-4-hydroxybenzoic acid

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₇H₃₈O₃

1 reference

(+)-Makassaric acid (English)

7 October 2016

canonical SMILES

CC1=CCC2C3(CCCC(C3CCC2(C1CC4=C(C=CC(=C4)C(=O)O)O)C)(C)C)C

1 reference

(+)-Makassaric acid (English)

7 October 2016

isomeric SMILES

CC1=CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2([C@@H]1CC4=C(C=CC(=C4)C(=O)O)O)C)(C)C)C

1 reference

Meroterpenoid MAPKAP (MK2) inhibitors isolated from the indonesian marine sponge Acanthodendrilla sp.

(+)-Makassaric acid (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C27H38O3/c1-17-7-10-23-26(4,14-11-22-25(2,3)12-6-13-27(22,23)5)20(17)16-19-15-18(24(29)30)8-9-21(19)28/h7-9,15,20,22-23,28H,6,10-14,16H2,1-5H3,(H,29,30)/t20-,22+,23+,26+,27+/m1/s1

1 reference

(+)-Makassaric acid (English)

VIOMEESUKISOEL-XDEZJFBHSA-N

7 October 2016

InChIKey

2 references

(+)-Makassaric acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

makassaric acid (English)

7 October 2016

2 references

(+)-Makassaric acid (English)

matched by identifier from

7 October 2016

InChIKey

VIOMEESUKISOEL-XDEZJFBHSA-N

Reaxys registry number

11308967

1 reference

(+)-makassaric acid (English)

7 October 2016

ChEBI ID

66654

mapping relation type

2 references

(+)-makassaric acid (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H38O3/c1-17-7-10-23-26(4,14-11-22-25(2,3)12-6-13-27(22,23)5)20(17)16-19-15-18(24(29)30)8-9-21(19)28/h7-9,15,20,22-23,28H,6,10-14,16H2,1-5H3,(H,29,30)/t20-,22+,23+,26+,27+/m1/s1

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

CHEMBL454582 (English)

7 October 2016

1 reference

1 reference