Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28805
- Core Entity Id
- 35204
- Source Entity Count
- 1
- Preferred Name
- Oxolucidine b
- Name En
- Pubchem Id
- 442493
- Smiles Canonical
- CC1CC2CC3=NC(CCC3(C4CC2C(C1)N(C4)C)O)CC5CC(CC6C5CCCN6C(=O)C)C
- Molecular Formula
- C30H49N3O2
- Molecular Weight
- 483.7410
- Inchikey
- QRIZONDFXOOWTA-MREYPERPSA-N
- Inchi
- InChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC3=N[C@@H](CC[C@@]3([C@@H]4C[C@H]2[C@H](C1)N(C4)C)O)C[C@H]5C[C@@H](C[C@@H]6[C@H]5CCCN6C(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.7705
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oxolucidine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxolucidine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxolucidine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
光亮石松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG LIANG SHI SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shining Clubmoss*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,2S,5S,9S,11R,13S,17R)-5-{[(4aS,5R,7S,8aR)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0(2,7).0(13,17)]heptadec-6-en-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S,5S,9S,11R,13S,17R)-5-{[(4aS,5R,7S,8aR)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0(2,7).0(13,17)]heptadec-6-en-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,5R,7S,8aR)-1-acetyl-5-[[(2S,4aS,5R,6aR,7S,9R,10aS)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-4a-hydroxy-9,12-dimethyl-7,5-(iminomethano)-2H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,5R,7S,8aR)-1-acetyl-5-[[(2S,4aS,5R,6aR,7S,9R,10aS)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-4a-hydroxy-9,12-dimethyl-7,5-(iminomethano)-2H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
1-[(4aS,5R,7S,8aR)-5-[[(1R,2S,5S,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(4aS,5R,7S,8aR)-5-[[(1R,2S,5S,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
71384-25-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
71384-25-3
Role
alias
Source
HERB_v2
Preferred
No
Name
C09891
Role
alias
Source
HERB_v2
Preferred
No
Name
C09891
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7849
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7849
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80991720
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80991720
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107596
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107596
Role
alias
Source
HERB_v2
Preferred
No
Name
Serratanine B
Role
alias
Source
HERB_v2
Preferred
No
Name
Serratanine B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxolucidine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxolucidine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
光亮石松GUANG LIANG SHI SONGShining Clubmoss*(1R,2S,5S,9S,11R,13S,17R)-5-{[(4aS,5R,7S,8aR)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0(2,7).0(13,17)]heptadec-6-en-2-ol(4aS,5R,7S,8aR)-1-acetyl-5-[[(2S,4aS,5R,6aR,7S,9R,10aS)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-4a-hydroxy-9,12-dimethyl-7,5-(iminomethano)-2H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline1-[(4aS,5R,7S,8aR)-5-[[(1R,2S,5S,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone71384-25-3C09891CHEBI:7849DTXSID80991720Q27107596Serratanine BOxolucidine A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038457HBIN038456
Npass
NPC61410
Tcmid
1636116360
Pub Chem
442493100927036
Tcmbank
TCMBANKIN046587TCMBANKIN046674
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H49N3O2/c1-18-11-22-15-29-30(35,23-16-26(22)27(12-18)32(4)17-23)8-7-24(31-29)14-21-10-19(2)13-28-25(21)6-5-9-33(28)20(3)34/h18-19,21-28,35H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,30+/m1/s1
Mol Wt
483.7410000000003
Mol Log P
4.770500000000005
In Ch Ikey
QRIZONDFXOOWTA-MREYPERPSA-N
Tcm Name
光亮石松
Tcm Name2
GUANG LIANG SHI SONG
Mol2 Path
/TCM_database/2007_3d_all/16372.mol2
Reference
3927
Num Hdonors
1
Tcm Name En
Shining Clubmoss*
Drug Likeness
0.615
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1C[C@H]2CC3=N[C@@H](CC[C@@]3([C@@H]4C[C@H]2[C@H](C1)N(C4)C)O)C[C@H]5C[C@@H](C[C@@H]6[C@H]5CCCN6C(=O)C)C
Canonical Smiles
CC1CC2CC3=NC(CCC3(C4CC2C(C1)N(C4)C)O)CC5CC(CC6C5CCCN6C(=O)C)C
Herb Alias Names
Serratanine B71384-25-3(1R,2S,5S,9S,11R,13S,17R)-5-{[(4aS,5R,7S,8aR)-1-acetyl-7-methyldecahydroquinolin-5-yl]methyl}-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.0(2,7).0(13,17)]heptadec-6-en-2-ol(4aS,5R,7S,8aR)-1-acetyl-5-[[(2S,4aS,5R,6aR,7S,9R,10aS)-3,4,4a,5,6,6a,7,8,9,10,10a,11-dodecahydro-4a-hydroxy-9,12-dimethyl-7,5-(iminomethano)-2H-benzo[5,6]cyclohepta[1,2-b]pyridin-2-yl]methyl]decahydro-7-methylquinoline1-[(4aS,5R,7S,8aR)-5-[[(1R,2S,5S,9S,11R,13S,17R)-2-hydroxy-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanoneCHEBI:7849DTXSID80991720C09891Q27107596
Molecular Weight
483.7 g/mol
Molecular Formula
C30H49N3O2
Num Rotatable Bonds
2