(Q104970491)

English

(4aR,8R,8aS)-8-[[(1S,2R,3S,4aS,7S,8aS)-1,2,3,7-tetrahydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

8a-(5,7-dihydroxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-8-[(1,2,3,7-tetrahydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-5,8-dihydro-4aH-naphthalene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

652.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₁₁

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canonical SMILES

O=C1C=C(OC=2C=C(O)C=C(O)C12)C34C(=O)C=C(OC)C(=O)C4CC=C(C)C3CC5(O)C(O)(C)C(O)CC6C(C)(C)CC(O)CC65C

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isomeric SMILES

COC1=CC(=O)[C@]2(c3cc(=O)c4c(O)cc(O)cc4o3)[C@@H](CC=C(C)[C@H]2C[C@]2(O)[C@@]3(C)C[C@@H](O)CC(C)(C)[C@@H]3C[C@H](O)[C@@]2(C)O)C1=O

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found in taxon

Dichrostachys cinerea

1 reference

stated in

Meroterpenes from Dichrostachys cinerea inhibit protein farnesyl transferase activity

Identifiers

InChI

InChI=1S/C36H44O11/c1-17-7-8-20-31(43)25(46-6)12-28(42)36(20,29-11-23(40)30-22(39)9-18(37)10-24(30)47-29)21(17)16-35(45)33(4)15-19(38)14-32(2,3)26(33)13-27(41)34(35,5)44/h7,9-12,19-21,26-27,37-39,41,44-45H,8,13-16H2,1-6H3/t19-,20-,21+,26-,27-,33-,34+,35-,36-/m0/s1

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InChIKey

CUTOXMFEWLGUMD-BJKXCROMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CUTOXMFEWLGUMD-BJKXCROMSA-N

1 reference

(Q104970491)

(4aR,8R,8aS)-8-[[(1S,2R,3S,4aS,7S,8aS)-1,2,3,7-tetrahydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Statements

Identifiers

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