Summary

IMPPAT Phytochemical identifier: IMPHY002316

Phytochemical name: Tambulol

Synonymous chemical names:
tambulol

External chemical identifiers:
CID:101281192

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2c(OC)cc(c3c2oc(c2ccc(c(c2)OC)OC)c(c3=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C24H26O13/c1-32-11-5-4-9(6-12(11)33-2)21-19(30)17(28)15-10(26)7-13(34-3)22(23(15)36-21)37-24-20(31)18(29)16(27)14(8-25)35-24/h4-7,14,16,18,20,24-27,29-31H,8H2,1-3H3/t14-,16-,18+,20-,24+/m1/s1

InChIKey:
DWVNYPULIGITQX-GKGQTXTDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OccOC))cccc6occccccc6)OC)))OC))))))cc6=O))O))))))O))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cO, cOC, cO[C@@H](C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(OC3CCCCO3)cccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C(OC3CCCCO3)CCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C(CC3CCCCC3)CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.796

---

Chemical structure download