Summary

IMPPAT Phytochemical identifier: IMPHY007491

Phytochemical name: Laccaic acid D

Synonymous chemical names:
laccaic acid d

External chemical identifiers:
CID:9883304, ChEBI:90194, ZINC:ZINC000014814435, SureChEMBL:SCHEMBL2138871

---

Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O

InChI:
InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)

InChIKey:
DDTNCHWMNZLWKO-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)C=O)ccC6=O))cC)ccc6)O))C=O)O

Functional groups:
cC(=O)O, cC(c)=O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthracenecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.496

---

Chemical structure download