Summary

IMPPAT Phytochemical identifier: IMPHY010875

Phytochemical name: Tecomaquinone II

Synonymous chemical names:
tecomaquinone ii

External chemical identifiers:
CID:90477042

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Chemical structure information

SMILES:
CC(=CCC1=C(C(=O)c2c(C1=O)cccc2)C1CC(C)(C)OC2=C1C(=O)c1c(C2=O)cccc1)C

InChI:
InChI=1S/C30H26O5/c1-16(2)13-14-21-23(26(32)18-10-6-5-9-17(18)25(21)31)22-15-30(3,4)35-29-24(22)27(33)19-11-7-8-12-20(19)28(29)34/h5-13,22H,14-15H2,1-4H3

InChIKey:
HOGXOGYCNBKLNH-UHFFFAOYSA-N

DeepSMILES:
CC=CCC=CC=O)ccC6=O))cccc6)))))))CCCC)C)OC=C6C=O)ccC6=O))cccc6)))))))))))))))))C

Functional groups:
CC1=C(C)C(=O)ccC1=O, CC=C(C)C, COC1=C(C)C(=O)ccC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2CCOC3=C2C(=O)c2ccccc2C3=O)C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCOC3C(O)C4CCCCC4C(O)C23)C(O)C2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC3C(C)C4CCCCC4C(C)C32)C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Quinone and hydroquinone lipids

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.169

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Chemical structure download