(Q105157941)

English

2-[(4S,4aS,8S,8aR)-4-[[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-8-hydroxy-7-methoxy-3-methyl-5-oxo-1,4,8,8a-tetrahydronaphthalen-4a-yl]-5,7-dihydroxychromen-4-one

chemical compound

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type of chemical entity

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subclass of

2-[4-[[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-8-hydroxy-7-methoxy-3-methyl-5-oxo-1,4,8,8a-tetrahydronaphthalen-4a-yl]-5,7-dihydroxychromen-4-one

1 reference

1 reference

5,7-dihydroxy-2-[8-hydroxy-4-[(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-7-methoxy-3-methyl-5-oxo-1,4,8,8a-tetrahydronaphthalen-4a-yl]chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

604.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₈

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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)C3CC5C(=C)C(O)CC6C(C)(C)CCCC56C

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isomeric SMILES

C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1C(C)=CC[C@H]2[C@H](O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1

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found in taxon

Dichrostachys cinerea

1 reference

stated in

Meroterpenes from Dichrostachys cinerea inhibit protein farnesyl transferase activity

Stachys cinerea

1 reference

stated in

Meroterpenes from Dichrostachys cinerea inhibit protein farnesyl transferase activity

Stachys germanica

1 reference

stated in

Meroterpenes from Dichrostachys cinerea inhibit protein farnesyl transferase activity

Identifiers

InChI

InChI=1S/C36H44O8/c1-18-8-9-21-33(42)28(43-6)17-30(41)36(21,31-16-26(40)32-25(39)12-20(37)13-27(32)44-31)22(18)14-23-19(2)24(38)15-29-34(3,4)10-7-11-35(23,29)5/h8,12-13,16-17,21-24,29,33,37-39,42H,2,7,9-11,14-15H2,1,3-6H3/t21-,22-,23-,24-,29-,33-,35+,36-/m0/s1

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InChIKey

LVNKBVBEDBVHKZ-ASRRCVJUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVNKBVBEDBVHKZ-ASRRCVJUSA-N

(Q105157941)

2-[(4S,4aS,8S,8aR)-4-[[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-8-hydroxy-7-methoxy-3-methyl-5-oxo-1,4,8,8a-tetrahydronaphthalen-4a-yl]-5,7-dihydroxychromen-4-one

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