Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018219

Phytochemical name: 3A,9b-Dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one

Synonymous chemical names:
3a,9b-Dimethyl-1,2,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-one

External chemical identifiers:
CID:CID_608004

---

Chemical structure information

SMILES:
O=C1CCC2(C1(C)CCc1c2cccc1)C

InChI:
InChI=1S/C15H18O/c1-14-10-8-13(16)15(14,2)9-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3

InChIKey:
YPDBVSLKKQRURP-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C)CCcc6cccc6)))))))))C

Functional groups:
CC(=O)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2c3ccccc3CCC12

Scaffold Graph/Node level:
OC1CCC2C1CCC1CCCCC12

Scaffold Graph level:
CC1CCC2C1CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.115

---

Chemical structure download