Summary

IMPPAT Phytochemical identifier: IMPHY004083

Phytochemical name: Galanal B

Synonymous chemical names:
galanal b

External chemical identifiers:
CID:3086504

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Chemical structure information

SMILES:
O=CC1=CC[C@H]2[C@@]([C@@H](C1)O)(C=O)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17+,19-,20-/m0/s1

InChIKey:
UDKRLAJJSYRYRU-NIMBFUQJSA-N

DeepSMILES:
O=CC=CC[C@H][C@@][C@@H]C7)O))C=O))CC[C@@H][C@]6C)CCCC6C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2C(CC1)CCC1CCCCC12

Scaffold Graph/Node level:
C1CCC2CCC3CCCCC3C2CC1

Scaffold Graph level:
C1CCC2CCC3CCCCC3C2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 3.275

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Chemical structure download