(Q104911886)

English

(4aS,5S,12aS)-6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,4,4a,5,12,12a-hexahydro-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-1,12-dioxo-2-naphthacenecarboxamide

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2,6-dimethyloctane monoterpenoid

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mass

567.210446256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₃NO₁₀

0 references

canonical SMILES

COc1cc(O)c2c(O)c3c(c(CC=C(C)CCC=C(C)C)c2c1)C(O)C1(O)CC(=O)C(C(N)=O)=C(O)C1(O)C3=O

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isomeric SMILES

COc1cc(O)c2c(O)c3c(c(C/C=C(\C)CCC=C(C)C)c2c1)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)=C(O)[C@@]1(O)C3=O

0 references

found in taxon

Penicillium aethiopicum

1 reference

stated in

Discovery and characterization of a group of fungal polycyclic polyketide prenyltransferases.

Identifiers

InChI

InChI=1S/C30H33NO10/c1-13(2)6-5-7-14(3)8-9-16-17-10-15(41-4)11-18(32)20(17)24(34)23-21(16)25(35)29(39)12-19(33)22(28(31)38)26(36)30(29,40)27(23)37/h6,8,10-11,25,32,34-36,39-40H,5,7,9,12H2,1-4H3,(H2,31,38)/b14-8+/t25-,29-,30+/m0/s1

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InChIKey

AGMPGRYRWNVPEQ-BJTDMJNKSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AGMPGRYRWNVPEQ-BJTDMJNKSA-N

ChEBI ID

219739

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H33NO10/c1-13(2)6-5-7-14(3)8-9-16-17-10-15(41-4)11-18(32)20(17)24(34)23-21(16)25(35)29(39)12-19(33)22(28(31)38)26(36)30(29,40)27(23)37/h6,8,10-11,25,32,34-36,39-40H,5,7,9,12H2,1-4H3,(H2,31,38)/b14-8+/t25-,29-,30+/m0/s1

1 reference

Natural Product Atlas ID

NPA020333

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AGMPGRYRWNVPEQ-BJTDMJNKSA-N

(Q104911886)

(4aS,5S,12aS)-6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,4,4a,5,12,12a-hexahydro-3,4a,5,10,11,12a-hexahydroxy-8-methoxy-1,12-dioxo-2-naphthacenecarboxamide

Statements

Identifiers

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