Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32463
- Core Entity Id
- 39275
- Source Entity Count
- 1
- Preferred Name
- Sanggenol b
- Name En
- Pubchem Id
- 15233694
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)C)C
- Molecular Formula
- C30H34O6
- Molecular Weight
- 490.5960
- Inchikey
- LAJFCURKIQZXBJ-VXLYETTFSA-N
- Inchi
- InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-11-20-15-21(12-14-23(20)31)29-28(35)27(34)26-25(33)16-24(32)22(30(26)36-29)13-9-18(3)4/h7,9-10,12,14-16,31-33,35H,6,8,11,13H2,1-5H3/b19-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.0263
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanggenol B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanggenol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sanggenol B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanggenol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sanggenol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
华桑
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA SANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Mulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
华桑HUA SANGChinese Mulberry
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042971
Npass
NPC73359
Tcmid
19237
Sym Map
SMIT26629
Pub Chem
15233694
Tcmbank
TCMBANKIN042510
Etcm Ingredient
Sanggenol B
Itcmdb Generated
ITX-INGREDIENT-0AC947188DDBITX-INGREDIENT-2D4D6A66A467
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-11-20-15-21(12-14-23(20)31)29-28(35)27(34)26-25(33)16-24(32)22(30(26)36-29)13-9-18(3)4/h7,9-10,12,14-16,31-33,35H,6,8,11,13H2,1-5H3/b19-10+
Mol Wt
490.5960000000003
Mol Log P
7.026300000000008
Version
v2
In Ch Ikey
LAJFCURKIQZXBJ-VXLYETTFSA-N
Suppress
0
Tcm Name
华桑
Tcm Name2
HUA SANG
Mol2 Path
/TCM_database/2007_3d_all/19252.mol2
Reference
2513
Num Hdonors
4
Tcm Name En
Chinese Mulberry
Drug Likeness
0.252
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)C)C
Molecular Weight
490.240
Molecular Weight
490.6 g/mol
Molecular Formula
C30H34O6
Molecular Formula
C30H34O6
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.252