Summary

IMPPAT Phytochemical identifier: IMPHY009562

Phytochemical name: 6-Angeloyloxy-7-methoxy-2,2-dimethylchromene

Synonymous chemical names:
6-angeloyloxy-7-methoxy-2,2-dimethylchromene

External chemical identifiers:
CID:129847932

---

Chemical structure information

SMILES:
C/C=C(C(=O)Oc1cc2C=CC(Oc2cc1OC)(C)C)/C

InChI:
InChI=1S/C17H20O4/c1-6-11(2)16(18)20-15-9-12-7-8-17(3,4)21-13(12)10-14(15)19-5/h6-10H,1-5H3/b11-6-

InChIKey:
PVFJOSVRFUYPME-WDZFZDKYSA-N

DeepSMILES:
C/C=CC=O)OcccC=CCOc6cc%10OC))))))C)C)))))))))/C

Functional groups:
cC=CC, cOC, cOC(=O)/C(C)=CC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Merohemiterpenoids

NP-Likeness score: 2.308

---

Chemical structure download