(Q105203764)

English

3-[(1S,4aR,5S,6S,8aS)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

442.308309824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₈H₄₂O₄

0 references

canonical SMILES

O=C(O)CCC1C(=C(C)C)CCC2C(C)(CC=3C=C(OC)C=C(C3O)C)C(C)CCC12C

0 references

isomeric SMILES

COc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)c1

0 references

found in taxon

Stypopodium zonale

1 reference

stated in

A new tyrosine kinase inhibitor from the marine brown alga Stypopodium zonale

Identifiers

InChI

InChI=1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23+,24-,27+,28-/m0/s1

0 references

InChIKey

OZFVNSYPXRUABC-HZKTUPHKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZFVNSYPXRUABC-HZKTUPHKSA-N

(Q105203764)

3-[(1S,4aR,5S,6S,8aS)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

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