Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 59433
- Core Entity Id
- 102444
- Source Entity Count
- 1
- Preferred Name
- Dioscorea Septemloba Thunb A
- Name En
- Pubchem Id
- 99474
- Smiles Canonical
- CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
- Molecular Formula
- C27H42O3
- Molecular Weight
- 414.6000
- Inchikey
- WQLVFSAGQJTQCK-VKROHFNGSA-N
- Inchi
- InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.7000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 38.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dioscorea Septemloba Thunb A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dioscorea septemloba Thunb A
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024140HBIN024141HBIN024142
Tcmid
375743757537576
Sym Map
SMIT23614
Tcmbank
TCMBANKIN060490
Itcmdb Generated
ITX-INGREDIENT-CCB28D8C07CC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
Version
v2
Suppress
0
Molecular Formula
C27H42O3