input word = C00025141

Metabolite InformationStructural formula
Name 3alpha-Dihydrocadambine
Formula C27H34N2O10
Mw 546.22134532
CAS RN 54483-84-0
C_ID C00025141 ,
InChIKey HNZGKRAKJFZQAY-XRGZMTHUNA-N
InChICode InChI=1S/C27H34N2O10/c1-36-25(35)15-11-37-26(39-27-24(34)23(33)22(32)19(10-30)38-27)20-14(15)8-17-21-13(6-7-29(17)9-18(20)31)12-4-2-3-5-16(12)28-21/h2-5,11,14,17-20,22-24,26-28,30-34H,6-10H2,1H3/t14-,17+,18-,19+,20+,22-,23+,24+,26+,27+/m1/s1
SMILES c12c3c([nH]c1cccc2)[C@H]1N(CC3)C[C@H]([C@@H]2[C@H](C1)C(=CO[C@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAnthocephalus cadamba Ref.
PlantaeRubiaceaeAnthocephalus chinensis (Lamk.) Ref.
PlantaeRubiaceaeNauclea cadamba ROXB. Ref.
PlantaeRubiaceaeUncaria rhynchophylla Miq. Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
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OrganismUncaria sinensis
ReferenceHeitzman, et al., Phytochemistry, 66, (2005), 5.

Kang, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 762.

Kohda, et al., Chem Pharm Bull, 44, (1996), 352.

Zhong, et al., Acta Botanica Yunnanica(Yunnan Zhiwu Yanjiu), 12, (1990), 453.

Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).