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
- 52745
- Core Entity Id
- 95756
- Source Entity Count
- 1
- Preferred Name
- 12-O-Acetylphorbol-13-Decanoate
- Name En
- Pubchem Id
- 124027
- Smiles Canonical
- CCCCCCCCCC(=O)OC12C(C1(C)C)C3C=C(CC4(C(C3(C(C2OC(=O)C)C)O)C=C(C4=O)C)O)CO
- Molecular Formula
- C32H48O8
- Molecular Weight
- 561.0000
- Inchikey
- CSJWNHJJHIAAIG-SVOQZPEWSA-N
- Inchi
- InChI=1S/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)40-32-26(29(32,5)6)23-16-22(18-33)17-30(37)24(15-19(2)27(30)36)31(23,38)20(3)28(32)39-21(4)34/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 130.0000
- Molecular Volume
- 411.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-O-Acetylphorbol-13-Decanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
12-O-Acetylphorbol-13-decanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
12-O-Acetylphorbol-13-decanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
巴豆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BA DOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Purging Croton
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
巴豆BA DOUPurging Croton
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN047873
Etcm Ingredient
12-O-Acetylphorbol-13-decanoate
Itcmdb Generated
ITX-INGREDIENT-0A7B15B8C53AITX-INGREDIENT-78327B715A59
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
4
37 Flag
37
C Count
32
N Count
0
O Count
8
P Count
0
S Count
0
Version
v1,v2
Suppress
0
Tcm Name
巴豆
Tcm Name2
BA DOU
Mol2 Path
/TCM_database/2007_3d_all/00483.mol2
Reference
3921
Tcm Name En
Purging Croton
Num H Donors
3
Num H Acceptors
8
Molecular Weight
560.330
Molecular Volume
411
Molecular Weight
561
Molecule Formula
C32H48O8
Molecular Formula
C32H48O8
Num Rotatable Bonds
13
Molecular Polar Surface Area
130
Fda Maximum Daily Dose (Fdamdd)
0.943
Quantitative Estimate Of Drug Likeness（Qed）
0.195