Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6766
- Core Entity Id
- 10700
- Source Entity Count
- 1
- Preferred Name
- 5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
- Name En
- Pubchem Id
- 162991768
- Smiles Canonical
- C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O
- Molecular Formula
- C27H43NO3
- Molecular Weight
- 429.6000
- Inchikey
- IQDIERHFZVCNRZ-NQXKOBLOSA-N
- Inchi
- InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.9000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 60.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5 alpha,14 alpha-Cevanine-3 beta,20 beta-dihydroxy-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
浙贝母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHE BEI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thunberg Fritillary
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
浙贝母ZHE BEI MUThunberg Fritillary
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011372
Tcmid
30760
Tcmbank
TCMBANKIN045293
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])([C@@]([H])(C([H])([H])N(C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@]2([H])[C@@]3(C([H])([H])[H])O[H])[C@]
3([H])C([H])([H])C4([H])[H])[C@@]45[H])[C@@]5([H])C([H])([H])C6=O)[C@]6([H])C([H])([H])[C@@]1([H])O[H]
Tcm Name
浙贝母
Tcm Name2
ZHE BEI MU
Mol2 Path
/TCM_database/2003_3d_all/1314.mol2
Reference
233
Tcm Name En
Thunberg Fritillary
Molecular Formula
C27H43NO3
Molecular Formula
C27H43NO3