Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29578
- Core Entity Id
- 36060
- Source Entity Count
- 1
- Preferred Name
- Phanostenine
- Name En
- Pubchem Id
- 12305138
- Smiles Canonical
- CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)O)OC)OCO3
- Molecular Formula
- C19H19NO4
- Molecular Weight
- 325.3640
- Inchikey
- JCAGCHGPDTYNCD-CYBMUJFWSA-N
- Inchi
- InChI=1S/C19H19NO4/c1-20-4-3-10-6-16-19(24-9-23-16)18-12-8-14(21)15(22-2)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1
- Isomeric Smiles
- CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)O)OC)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.8816
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Phanostenine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(−)-Phanostenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phanostenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phanostenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小叶地不容
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO YE DI BU RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Littleleaf Stephania
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-phanostenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-phanostenine
Role
alias
Source
HERB_v2
Preferred
No
Name
(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL515639
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL515639
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Phanostenine(−)-Phanostenine小叶地不容XIAO YE DI BU RONGLittleleaf Stephania(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaen-17-ol(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-olCHEMBL515639
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039399
Npass
NPC128560
Tcmid
1702735115
Pub Chem
12305138
Tcmbank
TCMBANKIN039679
Etcm Ingredient
(-)-Phanostenine
Itcmdb Generated
ITX-INGREDIENT-3C3B0796641CITX-INGREDIENT-84857CC0483B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H19NO4/c1-20-4-3-10-6-16-19(24-9-23-16)18-12-8-14(21)15(22-2)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1
Mol Wt
325.3640000000001
Mol Log P
2.881600000000001
In Ch Ikey
JCAGCHGPDTYNCD-CYBMUJFWSA-N
Tcm Name
小叶地不容
Tcm Name2
XIAO YE DI BU RONG
Mol2 Path
/TCM_database/2007_3d_all/17041.mol2
Reference
3614, 3615, 1756, 3616
Num Hdonors
1
Tcm Name En
Littleleaf Stephania
Drug Likeness
0.874
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC(=C(C=C54)O)OC)OCO3
Canonical Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)O)OC)OCO3
Herb Alias Names
(-)-phanostenine(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaen-17-ol(12R)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-olCHEMBL515639
Molecular Weight
325.130
Molecular Formula
C19H19NO4
Molecular Formula
C19H19NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.922
Quantitative Estimate Of Drug Likeness（Qed）
0.874