Summary

IMPPAT Phytochemical identifier: IMPHY007798

Phytochemical name: Cryptotanshinone

Synonymous chemical names:
cryptotanshinone

External chemical identifiers:
CID:160254, ChEMBL:CHEMBL187460, ChEBI:149838, ZINC:ZINC000002109876, FDASRS:5E9SXT166N, SureChEMBL:SCHEMBL5940386, MolPort-002-507-503

---

Chemical structure information

SMILES:
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C

InChI:
InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1

InChIKey:
GVKKJJOMQCNPGB-JTQLQIEISA-N

DeepSMILES:
C[C@H]COC=C5C=O)C=O)cc6cccc6CCCC6C)C

Functional groups:
O=C1ccC2=C(CCO2)C1=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=O)c2c(ccc3c2CCCC3)C2=C1CCO2

Scaffold Graph/Node level:
OC1C(O)C2C3CCCCC3CCC2C2OCCC12

Scaffold Graph level:
CC1C(C)C2C3CCCCC3CCC2C2CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Naphthalenes, Diterpenoids

NP Classifier Class: Abietane diterpenoids, Naphthoquinones

NP-Likeness score: 2.441

---

Chemical structure download