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
- 13740
- Core Entity Id
- 18443
- Source Entity Count
- 1
- Preferred Name
- Caranine
- Name En
- Pubchem Id
- 441589
- Smiles Canonical
- C1CN2CC3=CC4=C(C=C3C5C2C1=CCC5O)OCO4
- Molecular Formula
- C16H17NO3
- Molecular Weight
- 271.3160
- Inchikey
- XKYSLILSDJBMCU-DAXOMENPSA-N
- Inchi
- InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1
- Isomeric Smiles
- C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=CC[C@H]5O)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 1.7778
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Caranine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Caranine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Caranine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Caranine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
caranine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-deoxylycorine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-deoxylycorine
Role
alias
Source
HERB_v2
Preferred
No
Name
477-12-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
477-12-3
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-methylenedioxygalanth-3(12)-en-1alpha-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-methylenedioxygalanth-3(12)-en-1alpha-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:3383
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:3383
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL575125
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL575125
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50331598
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50331598
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21578195
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL21578195
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-ol(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-ol2-deoxylycorine477-12-39,10-methylenedioxygalanth-3(12)-en-1alpha-olCHEBI:3383CHEMBL575125DTXSID50331598SCHEMBL21578195
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019706
Npass
NPC320104
Tcmid
3152
Sym Map
SMIT14576
Pub Chem
441589
Tcmbank
TCMBANKIN007963
Etcm Ingredient
Caranine
Itcmdb Generated
ITX-INGREDIENT-65214E1F9E32
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1
Mol Wt
271.316
Smiles
C1CN2CC3=CC4=C(C=C3C5C2C1=CCC5O)OCO4
Mol Log P
1.7778
Version
v1,v2
In Ch Ikey
XKYSLILSDJBMCU-DAXOMENPSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.73
Num Hacceptors
4
Isomeric Smiles
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=CC[C@H]5O)OCO4
Canonical Smiles
C1CN2CC3=CC4=C(C=C3C5C2C1=CCC5O)OCO4
Herb Alias Names
2-deoxylycorine477-12-3CHEBI:33839,10-methylenedioxygalanth-3(12)-en-1alpha-ol(1S,18R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-ol(1R,12bS,12cS)-1,2,4,5,12b,12c-hexahydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-olCHEMBL575125SCHEMBL21578195DTXSID50331598
Molecular Weight
271.120
Molecular Weight
271.31 g/mol
Molecule Formula
C16H17NO3
Molecular Formula
C16H17NO3
Molecular Formula
C16H17NO3
Molecular Formula
C16H17NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.918
Quantitative Estimate Of Drug Likeness（Qed）
0.730