Summary

IMPPAT Phytochemical identifier: IMPHY009043

Phytochemical name: Podioda-7,17,21-triene

Synonymous chemical names:
podioda-7,17,21-triene

External chemical identifiers:
CID:15541888

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Chemical structure information

SMILES:
C/C(=CCCC=C(C)C)/CCC([C@@]1(C)CC[C@H]2C1=CC[C@@H]1[C@]2(C)CCCC1(C)C)C

InChI:
InChI=1S/C30H50/c1-22(2)12-9-10-13-23(3)14-15-24(4)29(7)21-18-26-25(29)16-17-27-28(5,6)19-11-20-30(26,27)8/h12-13,16,24,26-27H,9-11,14-15,17-21H2,1-8H3/b23-13+/t24?,26-,27-,29+,30+/m0/s1

InChIKey:
AYLQZDVHKCZPQY-LXCVNLFGSA-N

DeepSMILES:
C/C=CCCC=CC)C))))))/CCC[C@@]C)CC[C@H]C5=CC[C@@H][C@]6C)CCCC6C)C))))))))))))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Malabaricane triterpenoids

NP-Likeness score: 3.021

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Chemical structure download