Summary

IMPPAT Phytochemical identifier: IMPHY004094

Phytochemical name: Clausine D

Synonymous chemical names:
clausine d, clausine-d

External chemical identifiers:
CID:3035740, ChEMBL:CHEMBL2036044

---

Chemical structure information

SMILES:
O=Cc1cc(O)c2c(c1CC=C(C)C)c1ccccc1[nH]2

InChI:
InChI=1S/C18H17NO2/c1-11(2)7-8-13-12(10-20)9-16(21)18-17(13)14-5-3-4-6-15(14)19-18/h3-7,9-10,19,21H,8H2,1-2H3

InChIKey:
PNBKXALRNLUCJB-UHFFFAOYSA-N

DeepSMILES:
O=CcccO)ccc6CC=CC)C)))))cccccc6[nH]9

Functional groups:
CC=C(C)C, cC=O, cO, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.677

---

Chemical structure download