Summary

IMPPAT Phytochemical identifier: IMPHY008675

Phytochemical name: Terminic acid

Synonymous chemical names:
terminic acid

External chemical identifiers:
CID:132568257

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@@]1(O)CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC(C1(C)C)O)C(=O)O

InChI:
InChI=1S/C30H48O4/c1-18(2)19-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(19)29/h19-23,31,34H,1,8-17H2,2-7H3,(H,32,33)/t19-,20-,21+,22?,23-,26-,27+,28-,29-,30-/m0/s1

InChIKey:
YWXUVZHHIMGRSU-DCMMTUNOSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@][C@H]5[C@@]O)CC[C@H][C@@][C@@]6CC%10))C))C)CC[C@@H][C@]6C)CCCC6C)C))O))))))))))))))C=O)O

Functional groups:
C=C(C)C, CC(=O)O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Lupane triterpenoids

NP-Likeness score: 2.837

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Chemical structure download