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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15384
- Core Entity Id
- 20266
- Source Entity Count
- 1
- Preferred Name
- Crinine
- Name En
- Pubchem Id
- 398937
- Smiles Canonical
- C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4
- Molecular Formula
- C16H17NO3
- Molecular Weight
- 271.3160
- Inchikey
- RPAORVSEYNOMBR-IUIKQTSFSA-N
- Inchi
- InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1
- Isomeric Smiles
- C1CN2CC3=CC4=C(C=C3[C@@]15[C@@H]2C[C@@H](C=C5)O)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 1.5618
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-crinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-crinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Crinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Crinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
孤挺花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
灌木文殊兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GU TING HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
GUAN MU WEN SHU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Jersey Lily
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Shrubby Crinum*`bush’ or `march lily’
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Vittatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Crinine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Crinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,12R,13S,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2(10),3,8,16-tetraen-15-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,12R,13S,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2(10),3,8,16-tetraen-15-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3beta,5alpha,13beta,19alpha)-1,2-Didehydro-crinan-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3beta,5alpha,13beta,19alpha)-1,2-Didehydro-crinan-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
510-69-0
Role
alias
Source
HERB_v2
Preferred
No
Name
510-69-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9HKV
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9HKV
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:31437
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:31437
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1221864
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1221864
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL469648
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL469648
Role
alias
Source
HERB_v2
Preferred
No
Name
Crinan-3-ol, 1,2-didehydro-, (3beta,5alpha,13beta,19alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Crinan-3-ol, 1,2-didehydro-, (3beta,5alpha,13beta,19alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Crinidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Crinidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40199008
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40199008
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC709252
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC709252
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9688406
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9688406
Role
alias
Source
HERB_v2
Preferred
No
Name
vittatine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-crinine孤挺花灌木文殊兰GU TING HUAGUAN MU WEN SHU LANJersey LilyShrubby Crinum*`bush’ or `march lily’(+)-Vittatine(-)-Crinine(1R,12R,13S,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2(10),3,8,16-tetraen-15-ol(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol(3beta,5alpha,13beta,19alpha)-1,2-Didehydro-crinan-3-ol510-69-0AC1L9HKVCHEBI:31437CHEMBL1221864CHEMBL469648Crinan-3-ol, 1,2-didehydro-, (3beta,5alpha,13beta,19alpha)-CrinidineDTXSID40199008NSC709252SCHEMBL9688406vittatine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021690HBIN021691
Npass
NPC111587NPC97072
Tcmid
42394240
Pub Chem
398937443693
Tcmbank
TCMBANKIN038668TCMBANKIN045627
Etcm Ingredient
(+)-CrinineCrinine
Itcmdb Generated
ITX-INGREDIENT-0B442BA53791ITX-INGREDIENT-569CFAD7AC2F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m1/s1
Mol Wt
271.316
Mol Log P
1.561799999999999
In Ch Ikey
RPAORVSEYNOMBR-IUIKQTSFSA-NRPAORVSEYNOMBR-RLCCDNCMSA-N
Tcm Name
孤挺花灌木文殊兰
Tcm Name2
GU TING HUAGUAN MU WEN SHU LAN
Mol2 Path
/TCM_database/2007_3d_all/04240.mol2/TCM_database/2007_3d_all/04241.mol2
Reference
40006, 3829, 4952
Num Hdonors
1
Tcm Name En
Jersey LilyShrubby Crinum*`bush’ or `march lily’
Drug Likeness
0.727
Num Hacceptors
4
Isomeric Smiles
C1CN2CC3=CC4=C(C=C3[C@@]15[C@@H]2C[C@@H](C=C5)O)OCO4C1CN2CC3=CC4=C(C=C3[C@]15[C@H]2C[C@H](C=C5)O)OCO4
Canonical Smiles
C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4
Herb Alias Names
CrinidineCHEMBL1221864CHEBI:31437NSC709252NSC-709252(1S,13R,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-olAC1L9HKV(1S,13R,15R)-5,7-dioxa-12-azapentacyclo(10.5.2.01,13.02,10.04,8)nonadeca-2,4(8),9,16-tetraen-15-ol(-)-Crinine
Molecular Weight
271.120
Molecular Weight
271.31 g/mol
Molecular Formula
C16H17NO3
Molecular Formula
C16H17NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.9000.934
Quantitative Estimate Of Drug Likeness（Qed）
0.727