Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38075
- Core Entity Id
- 61648
- Source Entity Count
- 1
- Preferred Name
- (?)-12-hydroxycrychine
- Name En
- Pubchem Id
- 101148425
- Smiles Canonical
- CN1C2CC3=CC4=C(C=C3C1(CC5=CC6=C(C=C25)OCO6)O)OCO4
- Molecular Formula
- C19H17NO5
- Molecular Weight
- 339.3470
- Inchikey
- ONEUXHSNVSOILA-AUUYWEPGSA-N
- Inchi
- InChI=1S/C19H17NO5/c1-20-14-2-10-3-15-18(25-9-22-15)6-13(10)19(20,21)7-11-4-16-17(5-12(11)14)24-8-23-16/h3-6,14,21H,2,7-9H2,1H3/t14-,19-/m1/s1
- Isomeric Smiles
- CN1[C@@H]2CC3=CC4=C(C=C3[C@@]1(CC5=CC6=C(C=C25)OCO6)O)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 2.0744
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-12-Hydroxycrychine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-12-hydroxycrychine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-12-hydroxycrychine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-12-hydroxycrychine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(-)-12-Hydroxycrychine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000876
Npass
NPC7248
Tcmid
9946
Pub Chem
101148425
Tcmbank
TCMBANKIN002419
Etcm Ingredient
(-)-12-Hydroxycrychine
Itcmdb Generated
ITX-INGREDIENT-F13A2BAAA183
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO5/c1-20-14-2-10-3-15-18(25-9-22-15)6-13(10)19(20,21)7-11-4-16-17(5-12(11)14)24-8-23-16/h3-6,14,21H,2,7-9H2,1H3/t14-,19-/m1/s1
Mol Wt
339.3470000000001
Smiles
CN1C2CC3=CC4=C(C=C3C1(CC5=CC6=C(C=C25)OCO6)O)OCO4
Mol Log P
2.0744
In Ch Ikey
ONEUXHSNVSOILA-AUUYWEPGSA-N
Num Hdonors
1
Drug Likeness
0.793
Num Hacceptors
6
Isomeric Smiles
CN1[C@@H]2CC3=CC4=C(C=C3[C@@]1(CC5=CC6=C(C=C25)OCO6)O)OCO4
Canonical Smiles
CN1C2CC3=CC4=C(C=C3C1(CC5=CC6=C(C=C25)OCO6)O)OCO4
Molecular Weight
339.110
Molecular Weight
339.3 g/mol
Molecular Formula
C19H17NO5
Molecular Formula
C19H17NO5
Molecular Formula
C19H17NO5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.987
Quantitative Estimate Of Drug Likeness（Qed）
0.793