Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47456
- Core Entity Id
- 90467
- Source Entity Count
- 1
- Preferred Name
- 11Α-Hydroxy-Acetylfawcettine
- Name En
- Pubchem Id
- 162921888
- Smiles Canonical
- CC(=O)OC1CC2C(OC(C)=O)C(C)CC34C1CCCN3CCC(O)C24
- Molecular Formula
- C20H31NO5
- Molecular Weight
- 365.2200
- Inchikey
- SDMGHZKLXCHNCW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H31NO5/c1-11-10-20-15-5-4-7-21(20)8-6-16(24)18(20)14(19(11)26-13(3)23)9-17(15)25-12(2)22/h11,14-19,24H,4-10H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 76.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11Α-Hydroxy-Acetylfawcettine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
11α-hydroxy-acetylfawcettine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
11α-hydroxy-acetylfawcettine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20329
Tcmbank
TCMBANKIN025242
Etcm Ingredient
11α-hydroxy-acetylfawcettine
Itcmdb Generated
ITX-INGREDIENT-6CCCED0E4F13ITX-INGREDIENT-EC6316F18460
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CC23C4CCCN2CCC(C3C(C1OC(=O)C)CC4OC(=O)C)O
Version
v2
Suppress
0
Molecular Weight
365.220
Molecular Formula
C20H31NO5
Molecular Formula
C20H31NO5
Fda Maximum Daily Dose (Fdamdd)
0.562
Quantitative Estimate Of Drug Likeness（Qed）
0.749