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
- 43551
- Core Entity Id
- 86562
- Source Entity Count
- 1
- Preferred Name
- annomolon b
- Name En
- Pubchem Id
- 85117574
- Smiles Canonical
- CCCCCCCCCCCCC(O)C1CCC(C(O)CCCC(=O)CCCCCCC(O)CC2=CC(C)(O)OC2=O)O1
- Molecular Formula
- C35H62O8
- Molecular Weight
- 610.4400
- Inchikey
- GJVIOLYTKAYTOT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-11-16-21-30(38)32-23-24-33(42-32)31(39)22-17-20-28(36)18-14-12-13-15-19-29(37)25-27-26-35(2,41)43-34(27)40/h26,29-33,37-39,41H,3-25H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.3000
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 26
- Drug Likeness
- Polar Surface Area
- 134.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Annomolon B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
annomolon b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
毛叶番荔枝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO YE FAN LI ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cherimoya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛叶番荔枝MAO YE FAN LI ZHICherimoya
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016215
Tcmbank
TCMBANKIN011992TCMBANKIN061020
Etcm Ingredient
Annomolon B
Itcmdb Generated
ITX-INGREDIENT-899CA25F8B04ITX-INGREDIENT-CCBAAA492FBE
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(=O)CCCCCCC(CC2=CC(OC2=O)(C)O)O)O)O
Tcm Name
毛叶番荔枝
Tcm Name2
MAO YE FAN LI ZHI
Mol2 Path
/TCM_database/2007_3d_all/01305.mol2
Reference
4731
Tcm Name En
Cherimoya
Molecular Weight
610.440
Molecular Formula
C35H62O8
Molecular Formula
C35H62O8
Fda Maximum Daily Dose (Fdamdd)
0.877
Quantitative Estimate Of Drug Likeness（Qed）
0.064