Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15465
- Core Entity Id
- 20356
- Source Entity Count
- 1
- Preferred Name
- Cryptopleurine
- Name En
- Pubchem Id
- 92765
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
- Molecular Formula
- C24H27NO3
- Molecular Weight
- 377.4840
- Inchikey
- RSHYSOGXGSUUIJ-OAHLLOKOSA-N
- Inchi
- InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
- Isomeric Smiles
- COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.9294
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cryptopleurine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cryptopleurine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cryptopleurine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Cryptopleurine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Cryptopleurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
Role
alias
Source
HERB_v2
Preferred
No
Name
3JZK58H75B
Role
alias
Source
HERB_v2
Preferred
No
Name
3JZK58H75B
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-22-4
Role
alias
Source
HERB_v2
Preferred
No
Name
482-22-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:3932
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:3932
Role
alias
Source
HERB_v2
Preferred
No
Name
CRYPTOPLEURINE (I)
Role
alias
Source
HERB_v2
Preferred
No
Name
CRYPTOPLEURINE (I)
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-19912
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC19912
Role
alias
Source
HERB_v2
Preferred
No
Name
R-Cryptopleurine
Role
alias
Source
HERB_v2
Preferred
No
Name
R-Cryptopleurine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Cryptopleurine(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine3JZK58H75B482-22-4CHEBI:3932CRYPTOPLEURINE (I)NSC-19912NSC19912R-Cryptopleurine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021793
Npass
NPC144863
Tcm Id
22233222345421
Pub Chem
92765
Tcmbank
TCMBANKIN018467
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
Mol Wt
377.4840000000001
Smiles
COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
Mol Log P
4.929400000000005
In Ch Ikey
RSHYSOGXGSUUIJ-OAHLLOKOSA-N
Num Hdonors
0
Drug Likeness
0.606
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
Canonical Smiles
COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC
Herb Alias Names
482-22-4(-)-CryptopleurineR-CryptopleurineCRYPTOPLEURINE (I)NSC19912CHEBI:3932(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine3JZK58H75BNSC-19912
Molecular Weight
377.5 g/mol
Molecular Formula
C24H27NO3
Molecular Formula
C24H27NO3
Num Rotatable Bonds
3