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
- 27934
- Core Entity Id
- 34235
- Source Entity Count
- 1
- Preferred Name
- Nor-orixine
- Name En
- Pubchem Id
- 6325747
- Smiles Canonical
- CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)O)O
- Molecular Formula
- C16H19NO6
- Molecular Weight
- 321.3290
- Inchikey
- FDPMWTPQUHILQG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H19NO6/c1-16(2,20)11(18)6-9-13(21-3)8-4-5-10-14(23-7-22-10)12(8)17-15(9)19/h4-5,11,18,20H,6-7H2,1-3H3,(H,17,19)
- Isomeric Smiles
- CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.9397
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nor-orixine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nor-orixine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nor-orixine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
nor-orixine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037370
Npass
NPC23140
Tcmid
15776
Pub Chem
6325747
Tcmbank
TCMBANKIN028897
Etcm Ingredient
Nor-orixine
Itcmdb Generated
ITX-INGREDIENT-F597C1A6C9CF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H19NO6/c1-16(2,20)11(18)6-9-13(21-3)8-4-5-10-14(23-7-22-10)12(8)17-15(9)19/h4-5,11,18,20H,6-7H2,1-3H3,(H,17,19)
Mol Wt
321.3290000000001
Smiles
CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)O)O
Mol Log P
0.9396999999999998
In Ch Ikey
FDPMWTPQUHILQG-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.775
Num Hacceptors
6
Isomeric Smiles
CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)O)O
Canonical Smiles
CC(C)(C(CC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)O)O
Molecular Weight
321.120
Molecular Formula
C16H19NO6
Molecular Formula
C16H19NO6
Molecular Formula
C16H19NO6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.764
Quantitative Estimate Of Drug Likeness（Qed）
0.775