Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37198
- Core Entity Id
- 44551
- Source Entity Count
- 1
- Preferred Name
- Zijinlongine
- Name En
- Pubchem Id
- 131593
- Smiles Canonical
- COC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
- Molecular Formula
- C21H21NO6
- Molecular Weight
- 383.4000
- Inchikey
- HTDCXQCQZYTCTE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H21NO6/c1-24-20-17-12(6-16-19(20)28-11-26-16)4-5-22-8-14-13(7-21(17,22)9-23)2-3-15-18(14)27-10-25-15/h2-3,6,23H,4-5,7-11H2,1H3
- Isomeric Smiles
- COC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
- Cas Id
- Ob Score
- Mol Logp
- 1.9546
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Zijinlongine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zijinlongine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Zijinlongine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
zijinlongine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(12-Methoxy-4,6,7,13-tetrahydro-2H,10H,12bH-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-12b-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(12-Methoxy-4,6,7,13-tetrahydro-2H,10H,12bH-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-12b-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
12bH-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine-12b-methanol, 4,6,7,13-tetrahydro-12-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
12bH-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine-12b-methanol, 4,6,7,13-tetrahydro-12-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
133086-83-6
Role
alias
Source
HERB_v2
Preferred
No
Name
133086-83-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10927931
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10927931
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(12-Methoxy-4,6,7,13-tetrahydro-2H,10H,12bH-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-12b-yl)methanol(3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl)methanol12bH-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine-12b-methanol, 4,6,7,13-tetrahydro-12-methoxy-133086-83-6DTXSID10927931
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048916
Npass
NPC48168
Tcmid
22985
Pub Chem
131593
Tcmbank
TCMBANKIN007440
Etcm Ingredient
Zijinlongine
Itcmdb Generated
ITX-INGREDIENT-5FF5746D468F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H21NO6/c1-24-20-17-12(6-16-19(20)28-11-26-16)4-5-22-8-14-13(7-21(17,22)9-23)2-3-15-18(14)27-10-25-15/h2-3,6,23H,4-5,7-11H2,1H3
Mol Wt
383.4000000000001
Smiles
COC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
Mol Log P
1.9546
In Ch Ikey
HTDCXQCQZYTCTE-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.85
Num Hacceptors
7
Isomeric Smiles
COC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
Canonical Smiles
COC1=C2C(=CC3=C1OCO3)CCN4C2(CC5=C(C4)C6=C(C=C5)OCO6)CO
Herb Alias Names
133086-83-6DTXSID10927931(12-Methoxy-4,6,7,13-tetrahydro-2H,10H,12bH-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-12b-yl)methanol(3-methoxy-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-yl)methanol12bH-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine-12b-methanol, 4,6,7,13-tetrahydro-12-methoxy-
Molecular Weight
383.140
Molecular Weight
383.4 g/mol
Molecular Formula
C21H21NO6
Molecular Formula
C21H21NO6
Molecular Formula
C21H21NO6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.808
Quantitative Estimate Of Drug Likeness（Qed）
0.850