Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012792

Phytochemical name: Bikoeniquinone a

Synonymous chemical names:
bikoeniquinone a, Bikoeniquinone A

External chemical identifiers:
CID:CID_135507215

---

Chemical structure information

SMILES:
COc1cc(C)/c(=c\2/c(C)c(O)c3=c4c(=Nc3c2O)cccc4)/c2=c3c(=Nc12)cccc3

InChI:
InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,30-31H,1-3H3/b21-20+

InChIKey:
DDBOQXQMTZIAFR-QZQOTICOSA-N

DeepSMILES:
COcccC)/c=c/cC)cO)c=cc=Nc5c/9O))))cccc6))))))))))/c=cc=Nc95))cccc6

Functional groups:
cOC, cO, cN=c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)=Nc1cc(=c3cccc4c3=c3ccccc3=N4)ccc1=2

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC(C3CCCC4NC5CCCCC5C43)CCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CC(C3CCCC4CC5CCCCC5C43)CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP-Likeness score: 0.164

---

Chemical structure download